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5H-Pyrrolo[1,2-a]azepin-5-one, octahydro-3-methyl-, trans-
SpectraBase Compound ID B91x2b2ZqFl
InChI InChI=1S/C10H17NO/c1-8-6-7-9-4-2-3-5-10(12)11(8)9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKey MXHFITUYGPAIIM-BDAKNGLRSA-N
Mol Weight 167.25 g/mol
Molecular Formula C10H17NO
Exact Mass 167.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aqm45t8T9Zm
Name 5H-Pyrrolo[1,2-a]azepin-5-one, octahydro-3-methyl-, trans-
Alternate Name(s) (3R,9aS)-3-methyloctahydro-5H-pyrrolo[1,2-a]azepin-5-one cis-1-methyl-1-azabicyclo[5.3.0]decan-2-one
CAS Registry Number 124573-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO
InChI InChI=1S/C10H17NO/c1-8-6-7-9-4-2-3-5-10(12)11(8)9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKey MXHFITUYGPAIIM-BDAKNGLRSA-N
Molecular Weight 167.252 g/mol
SMILES C1(N2[C@@](CCCC1)(CC[C@]2(C)[H])[H])=O
SPLASH splash10-0uyi-9400000000-5848374c27a892d68881
Source of Spectrum H-72-852-4
Wiley ID 1163732